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	hartrees
Energy at 0K	-148.664983
Energy at 298.15K	-148.667205
HF Energy	-148.664983
Nuclear repulsion energy	59.860798

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3717	3545	17.01
2	A	1309	1249	0.01
3	A	745	710	19.66
4	A	647	617	203.14
5	A	520	496	0.05
6	B	3717	3545	218.68
7	B	2311	2204	548.06
8	B	753	719	610.19
9	B	518	494	61.31

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.034
N2	0.000	1.220	-0.073
N3	0.000	-1.220	-0.073
H4	0.550	1.910	0.411
H5	-0.550	-1.910	0.411

	C1	N2	N3	H4	H5
C1		1.2248	1.2248	2.0227	2.0227
N2	1.2248		2.4400	1.0061	3.2144
N3	1.2248	2.4400		3.2144	1.0061
H4	2.0227	1.0061	3.2144		3.9748
H5	2.0227	3.2144	1.0061	3.9748

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
C1	N2	H4	129.841		C1	N3	H5	129.841
N2	C1	N3	169.905

All results from a given calculation for HNCNH (diiminomethane)

using model chemistry: B1B95/6-31G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.427
2	N	-0.551
3	N	-0.551
4	H	0.338
5	H	0.338

	x	y	z	Total
	0.000	0.000	2.318	2.318
CHELPG
AIM
ESP

	x	y	z
x	1.456	0.262	0.000
y	0.262	6.152	0.000
z	0.000	0.000	1.435

<r²>	39.261
(<r²>)^1/2	6.266